Khusimol

Khusimol
Identifiers
CAS Number	16223-63-5;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL511334;
ChemSpider	146550;
PubChem CID	167519;
UNII	T4N33ECG0W;
CompTox Dashboard (EPA)	DTXSID80936671 ;
	InChI InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13-,15+/m1/s1 Key: OOYRHNIVDZZGQV-BHPKHCPMSA-N;
	SMILES CC1(C2CCC3(C2)C(CCC3C1=C)CO)C;
Properties
Chemical formula	C15H24O
Molar mass	220.356 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Khusimol is a sesquiterpene found in oil of vetiver. It contains a tricyclic hydrocarbon core, with a hydroxy methyl group, two methyl groups and a methylene group.^[1] It constitutes the biggest part of oil of vetiver, around 15%.^[2] The substance was initially discovered by D. C. Umarani in 1966 and separatated by using distillation and column chromatography.^[2]

References edit

^ Umarani, D.C.; Gore, K.G.; Chakravarti, K.K. (January 1966). "Terpenoids XC, Khusimol A New Sesquiterpene Alcohol". Tetrahedron Letters. 7 (12): 1255–1261. doi:10.1016/S0040-4039(01)99704-7.
^ ^a ^b Rao, Renee C.; Gal, Claudine Serradeil-Le; Granger, Isabelle; Gleye, Jacqueline; Augereau, Jean-Michel; Bessibes, Cecile (October 1994). "Khusimol, a Non-Peptide Ligand for Vasopressin V1a Receptors". Journal of Natural Products. 57 (10): 1329–1335. doi:10.1021/np50112a001. PMID 7807119.

[1] Umarani, D.C.; Gore, K.G.; Chakravarti, K.K. (January 1966). "Terpenoids XC, Khusimol A New Sesquiterpene Alcohol". Tetrahedron Letters. 7 (12): 1255–1261. doi:10.1016/S0040-4039(01)99704-7.

[rao-2] Rao, Renee C.; Gal, Claudine Serradeil-Le; Granger, Isabelle; Gleye, Jacqueline; Augereau, Jean-Michel; Bessibes, Cecile (October 1994). "Khusimol, a Non-Peptide Ligand for Vasopressin V1a Receptors". Journal of Natural Products. 57 (10): 1329–1335. doi:10.1021/np50112a001. PMID 7807119.

[1]

[2]

Identifiers

CAS Number	16223-63-5
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL511334
ChemSpider	146550
PubChem CID	167519
UNII	T4N33ECG0W
CompTox Dashboard (EPA)	DTXSID80936671
InChI InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13-,15+/m1/s1 Key: OOYRHNIVDZZGQV-BHPKHCPMSA-N
SMILES CC1(C2CCC3(C2)C(CCC3C1=C)CO)C
Properties
Chemical formula	C₁₅H₂₄O
Molar mass	220.356 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references